Information card for entry 4309701

Structure parameters

• Chemical name: Au2(tfepm)3Cl2
• Formula: C39 H54 Au2 Cl2 F36 O15 P6
• Calculated formula: C39 H54 Au2 Cl2 F36 O15 P6
• SMILES: [Au]12([P](OCC(F)(F)F)(OCC(F)(F)F)C[P]([Au]([P](OCC(F)(F)F)(OCC(F)(F)F)C[P]1(OCC(F)(F)F)OCC(F)(F)F)[P](OCC(F)(F)F)(OCC(F)(F)F)C[P]2(OCC(F)(F)F)OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F)Cl.[Cl-].O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Molecular Chemistry of Consequence to Renewable Energy
• Authors of publication: Jillian L. Dempsey; Arthur J. Esswein; David R. Manke; Joel Rosenthal; Jake D. Soper; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6879 - 6892
• a: 17.378 ± 0.006 Å
• b: 15.932 ± 0.005 Å
• c: 26.895 ± 0.008 Å
• α: 90°
• β: 108.438 ± 0.006°
• γ: 90°
• Cell volume: 7064 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No